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| NAMD 2.0 Release Announcement |
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March 25, 1999
The Theoretical Biophysics Group at the University of Illinois is
proud to announce the public release of a new version of NAMD, a
parallel, object-oriented molecular dynamics code designed for
high-performance simulation of large biomolecular systems. NAMD is
distributed free of charge and includes source code. NAMD2 is a major
improvement over NAMD 1.5, in both speed and simulation features.
This is a binary-only release of NAMD2. We still have some additional
code cleanup before releasing the source in a couple of weeks.
NAMD2 is available via the web at http://www.ks.uiuc.edu/Research/namd/.
Mail any questions or comments to namd at ks.uiuc.edu.
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New Features in NAMD 2.0
- Reads CHARMM (or X-PLOR) formatted parameter files.
- Supports periodic and non-periodic MD simulations.
- Particle mesh Ewald full electrostatics for periodic simulations.
- Triple timestepping.
- Rigid bonds to hydrogen atoms.
- Fixed atoms implemented efficiently, no unnecessary force
calculations.
- Berendsen and Langevin piston constant pressure methods.
- Steered Molecular Dynamics (SMD) features.
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Problems?
For problems or questions, send email to namd at ks.uiuc.edu. If you
think you have found a bug, please include what machine you are
running on, and, if possible, a dump of the program output and/or a
copy of your input files. Your feedback will help us improve NAMD2.
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NAMD2 Known Deficiencies
- PME does not parallelize well and has had limited testing.
- NAMD2 requires X-PLOR or CHARMM to produce the .psf structure input
files. If you don't have one of these, you probably can't use NAMD2
yet.
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